SCHEMBL1129461

SCHEMBL1129461

CC(C)(C)OC(=O)c1cc(C#N)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
ABCB1 P08183 9/20 0.37
AR P10275 1/20 0.36
TBXA2R P21731 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP2K1 Q02750 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6072228 0.83 POLB (0.43) TTRALBARMAP2K1EGLN2
SCHEMBL6918860 0.82 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL26717187 0.82 PDK1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6353385 0.82 ABCB1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28327228 0.82 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10164134 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6116171 0.80 GPR119 (0.44) GPR119L3MBTL1MAP2K1EGLN2
SCHEMBL20379477 0.79 KDM4E (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL12670851 0.79 FLT1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL271075 0.78 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071774-B2 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-06 US disclosed
EP-1896481-B1 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-02-16 EP disclosed
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-01-14 US disclosed
EP-1896481-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2006128852-A2 HETEROCYCLIC SPIRO-COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-12-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100010015-A1 Heterocyclic spiro-compounds as aldosterone synthase inhibitors REN, NR3C2, CYP21A2 GABRA1 2412/4885GABRG2 3414/4885GABRB3 2936/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.